2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate

C21H23ClN6O3 — CID 3242324

IUPAC2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate
SMILESO=C(Nc1ccc(Cl)cc1)OCCn1nnnc1C(c1ccccc1)N1CCOCC1
InChIInChI=1S/C21H23ClN6O3/c22-17-6-8-18(9-7-17)23-21(29)31-15-12-28-20(24-25-26-28)19(16-4-2-1-3-5-16)27-10-13-30-14-11-27/h1-9,19H,10-15H2,(H,23,29)
InChIKeyFHUVGNKIGBLKCO-UHFFFAOYSA-N
MW442.91 g/mol
LogP3.00
Rot. Bonds7

About 2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate

2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate (PubChem CID 3242324) has the molecular formula C21H23ClN6O3 and a molecular weight of 442.91 g/mol. Its IUPAC name is 2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate.

Molecular Properties

Compound Name2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate
PubChem CID3242324
Molecular FormulaC21H23ClN6O3
Molecular Weight442.91 g/mol
Exact Mass442.15
IUPAC Name2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate
SMILESO=C(Nc1ccc(Cl)cc1)OCCn1nnnc1C(c1ccccc1)N1CCOCC1
InChIInChI=1S/C21H23ClN6O3/c22-17-6-8-18(9-7-17)23-21(29)31-15-12-28-20(24-25-26-28)19(16-4-2-1-3-5-16)27-10-13-30-14-11-27/h1-9,19H,10-15H2,(H,23,29)
InChIKeyFHUVGNKIGBLKCO-UHFFFAOYSA-N
XLogP3.00
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.91
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate?
The IUPAC name of 2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate (CID 3242324) is 2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate.
What is the SMILES notation for 2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate?
The canonical SMILES for 2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate is O=C(Nc1ccc(Cl)cc1)OCCn1nnnc1C(c1ccccc1)N1CCOCC1.
What is the InChIKey of 2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate?
The InChIKey is FHUVGNKIGBLKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN6O3/c22-17-6-8-18(9-7-17)23-21(29)31-15-12-28-20(24-25-26-28)19(16-4-2-1-3-5-16)27-10-13-30-14-11-27/h1-9,19H,10-15H2,(H,23,29).
What are the key properties of 2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate?
2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate has a molecular weight of 442.91 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate is sourced from PubChem (CID 3242324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).